Senior Quantum Chemistry Specialist

Placements24; Upington; Hybrid; ZAR 1,200,000 - 1,800,000; Full time

Benefits offered by this job

Remote work

Home office stipend

Professional development budget

Health insurance

Job summary

Placements24 is seeking a Senior Quantum Chemistry Specialist to perform high-level quantum chemical calculations and guide theoretical research remotely from Upington, South Africa.

The role requires a PhD in Quantum Chemistry (or related field) and 6+ years of post-doctoral/industrial experience, with proficiency in Gaussian, ORCA, and NWChem, plus programming in Python and Bash. You will mentor peers and deliver publishable results.

Qualifications

• PhD in Quantum Chemistry or closely related field.
• Post-doctoral or industrial experience of 6+ years in quantum chemistry.
• Experience with Gaussian, ORCA, NWChem or similar software.

Responsibilities

• Perform high-level quantum chemical calculations (DFT, coupled cluster) to investigate electronic structure, spectroscopy, and reactivity.
• Develop and apply advanced computational methodologies for modeling complex chemical systems.
• Analyze and interpret quantum chemical results to provide insights into chemical phenomena and material properties.
• Collaborate with experimental chemists and materials scientists to guide research directions and interpret data.
• Develop and maintain computational scripts and workflows for efficient calculation and data analysis.

Skills

Quantum chemistry expertise

Python

Bash

Remote collaboration

HPC project management

Education

PhD in Quantum Chemistry or related field

Tools

Gaussian

ORCA

NWChem

Job description

About the Role

Our client, a globally recognized leader in theoretical chemistry and computational materials science, is seeking an exceptional Senior Quantum Chemistry Specialist for a fully remote position. This role offers the unique opportunity to work from anywhere within Upington, Northern Cape, ZA , contributing to groundbreaking research that shapes the future of materials and chemical processes. You will be responsible for performing high-level quantum chemical calculations to investigate reaction mechanisms, electronic structures, and material properties. This position requires a profound understanding of quantum mechanics, advanced computational methods, and extensive experience with quantum chemistry software packages. The ideal candidate is a self-motivated and detail-oriented scientist who thrives in an independent research environment and excels at virtual collaboration. We are looking for a visionary thinker who can guide theoretical efforts and solve complex chemical problems remotely.

Key Responsibilities

• Perform high-level quantum chemical calculations (e.g., DFT, coupled cluster) to investigate electronic structure, spectroscopy, and reactivity.
• Develop and apply advanced computational methodologies for modeling complex chemical systems.
• Analyze and interpret quantum chemical calculation results to provide insights into chemical phenomena and material properties.
• Collaborate with experimental chemists and materials scientists to guide research directions and interpret experimental data.
• Develop and maintain computational scripts and workflows for efficient calculation execution and data analysis.
• Stay abreast of the latest theoretical advancements and computational techniques in quantum chemistry.
• Prepare high-quality technical reports, manuscripts for peer-reviewed publications, and presentations.
• Mentor junior computational chemists and guide their research efforts.
• Troubleshoot computational issues and optimize calculation parameters for accuracy and efficiency.
• Contribute to the development of novel theoretical models and computational tools.

Requirements

• Ph.D. in Quantum Chemistry, Theoretical Chemistry, Physics, or a closely related field.
• Minimum of 6 years of post-doctoral or industrial experience in quantum chemistry research.
• Extensive expertise in using quantum chemistry software packages such as Gaussian, ORCA, NWChem, or similar.
• Strong theoretical background in quantum mechanics, molecular orbital theory, and computational methods.
• Proficiency in programming languages (e.g., Python, Bash) for scripting and data analysis.
• Proven ability to manage complex computational projects and high-performance computing resources.
• Excellent analytical and problem-solving skills with a rigorous scientific approach.
• Strong written and verbal communication skills for effective remote collaboration and dissemination of results.
• Ability to work independently and proactively drive research initiatives in a remote setting.
• Experience with electronic structure calculations for materials science applications is highly desirable.

Benefits

• Our client offers a leading salary package, performance-based incentives, and a comprehensive remote work benefits suite, including excellent health, dental, and vision insurance.
• A generous annual budget is allocated for professional development, including access to advanced training, virtual conferences, and relevant software.
• A substantial home office stipend is provided to ensure optimal working conditions.
• Employees receive ample paid time off and benefit from flexible remote working arrangements.
• This is an unparalleled opportunity to contribute to fundamental scientific discovery from the comfort and convenience of your home, with a company that values innovation and employee well-being.